N-[1-(chloromethyl)-3-methylcyclohexyl]-6-(trifluoromethyl)pyridin-2-amine

C14H18ClF3N2 — CID 65028454

IUPACN-[1-(chloromethyl)-3-methylcyclohexyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESCC1CCCC(CCl)(Nc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H18ClF3N2/c1-10-4-3-7-13(8-10,9-15)20-12-6-2-5-11(19-12)14(16,17)18/h2,5-6,10H,3-4,7-9H2,1H3,(H,19,20)
InChIKeyOEYWDVZASLZZHS-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.70
Rot. Bonds3

About N-[1-(chloromethyl)-3-methylcyclohexyl]-6-(trifluoromethyl)pyridin-2-amine

N-[1-(chloromethyl)-3-methylcyclohexyl]-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 65028454) has the molecular formula C14H18ClF3N2 and a molecular weight of 306.76 g/mol. Its IUPAC name is N-[1-(chloromethyl)-3-methylcyclohexyl]-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(chloromethyl)-3-methylcyclohexyl]-6-(trifluoromethyl)pyridin-2-amine
PubChem CID65028454
Molecular FormulaC14H18ClF3N2
Molecular Weight306.76 g/mol
Exact Mass306.11
IUPAC NameN-[1-(chloromethyl)-3-methylcyclohexyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESCC1CCCC(CCl)(Nc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H18ClF3N2/c1-10-4-3-7-13(8-10,9-15)20-12-6-2-5-11(19-12)14(16,17)18/h2,5-6,10H,3-4,7-9H2,1H3,(H,19,20)
InChIKeyOEYWDVZASLZZHS-UHFFFAOYSA-N
XLogP4.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]-6-(trifluoromethyl)pyridin-2-amine (CID 65028454) is N-[1-(chloromethyl)-3-methylcyclohexyl]-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[1-(chloromethyl)-3-methylcyclohexyl]-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[1-(chloromethyl)-3-methylcyclohexyl]-6-(trifluoromethyl)pyridin-2-amine is CC1CCCC(CCl)(Nc2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of N-[1-(chloromethyl)-3-methylcyclohexyl]-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OEYWDVZASLZZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2/c1-10-4-3-7-13(8-10,9-15)20-12-6-2-5-11(19-12)14(16,17)18/h2,5-6,10H,3-4,7-9H2,1H3,(H,19,20).
What are the key properties of N-[1-(chloromethyl)-3-methylcyclohexyl]-6-(trifluoromethyl)pyridin-2-amine?
N-[1-(chloromethyl)-3-methylcyclohexyl]-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 306.76 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)-3-methylcyclohexyl]-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 65028454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).